IBS-ZINC05454522 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3740 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -0.6840 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0160 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 1.3950 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 3.5580 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 4.1550 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 4.3230 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 6.0990 0.0130 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 6.7310 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 6.0000 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 8.8050 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 6.8040 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 8.1300 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 8.0560 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 9.1750 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 8.8650 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1440 7.5370 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2620 6.5600 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9380 10.1310 -0.0260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -0.8460 -0.0380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.4200 -0.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 1.9390 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 4.0600 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 4.0690 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 10.2020 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 7.2980 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 M END